MassBank Record: MSBNK-Waters-WA000710
ACCESSION: MSBNK-Waters-WA000710
RECORD_TITLE: Pethidine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Pethidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H21NO2
CH$EXACT_MASS: 247.15723
CH$SMILES: CCOC(=O)C(C2)(CCN(C)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
CH$LINK: CAS
57-42-1
CH$LINK: INCHIKEY
XADCESSVHJOZHK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9023253
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 12.500 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0930000000-6afb46f9e8a8b1b4a74e
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
103 642 642
104 27 27
105 223 223
106 12 12
107 12 12
108 12 12
115 133 133
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118 31 31
126 8 8
128 63 63
129 161 161
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261 8 8
289 16 16
//